So..I solved two problems:
-for some reason, cpptraj is adding two useless numbers to the rst7, which
makes it unreadable. Nothing that sed cannot handle, I guess.
-"coordinates" has to be used instead of "coords" as attribute. The manual
would need an extensive debug.
Now it is working on my computer, we can try it tomorrow on yours!
Elisa
On Thu, Feb 23, 2017 at 4:43 PM, Elisa Pieri <elisa.pieri90.gmail.com>
wrote:
> Uh, thanks! Easier than expected! I took the main structure from the
> manual examples, I don't know if the same correction should be applied to
> the manual..
> BTW, I discovered that the RST7 was unreadable for VMD just because on
> line 2 cpptraj adds two numbers (energy and force?) after the number of
> atoms; another possible bug to be fixed?
>
> Thank you!
> Elisa
>
> On Thu, Feb 23, 2017 at 4:36 PM, Nhai <nhai.qn.gmail.com> wrote:
>
>> Hi
>>
>> Change coords to coordinates.
>>
>> Hai Nguyen
>>
>> > On Feb 23, 2017, at 10:05 AM, Elisa Pieri <elisa.pieri90.gmail.com>
>> wrote:
>> >
>> > coords
>>
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Received on Thu Feb 23 2017 - 08:00:03 PST
